N,N,4-Trimethyl-1-piperazinethanamin
1-(2-(N,N-Dimethylamino)ethyl)-4-methylpiperazine
Grundinformationen
- CAS
104-19-8- Standard-SMILES
CN(C)CCN1CCN(C)CC1- InChIKey
XFLSMWXCZBIXLV-UHFFFAOYSA-N- Summenformel
- C9H21N3
- Durchschnittliche Molmasse
- 171,28 g/mol
- Monoisotopische Masse
- 171,17354767
Namen und Bezeichner
- Bevorzugter Name
- 1-(2-(N,N-Dimethylamino)ethyl)-4-methylpiperazine
- IUPAC
- N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine
- Lokaler Name
- N,N,4-Trimethyl-1-piperazinethanamin
- Englischer Name
- 1-(2-Dimethylaminoethyl)-4-methylpiperazine
- Summenformel
- C9H21N3
- Molmasse
- 171.28
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
104-19-8- PubChem CID
- 66908
- DTXSID
DTXSID5059292- UNII
- 384CK0D21R
- EC Number
- 203-183-7
- Nikkaji
- J22.150C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 9,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 117
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 96 °C · 96 °C / 12mmHg
- Dichte
- 0 · 0,89 g/cm3
- Dampfdruck
- 28.6 Pa · 28.6Pa at 25℃
- Brechungsindex
- 1.463 · 1.4630-1.4660
- Flammpunkt
- 100 °C · 100°C(lit.)
- Wasserlöslichkeit
- Completely miscible in water
- Aggregatzustand
- clear liquid
- pka
- 9.5 · 9.50±0.28(Predicted)
- Farbe
- Colorless to Light orange to Yellow
- InChI
- InChI=1S/C9H21N3/c1-10(2)4-7-12-8-5-11(3)6-9-12/h4-9H2,1-3H3
- InChIKey
- XFLSMWXCZBIXLV-UHFFFAOYSA-N
- SMILES
- N1(CCN(C)C)CCN(C)CC1
- LogP
- -0.591 at · -0.591 at 21℃
- CAS Datenbank
- 104 · 104-19-8(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1-Piperazineethanamine, N,N,4-trimethyl- (104-19-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (34.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 433 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Piperazineethanamine, N,N,4-trimethyl-
1-Piperazineethanamine, N,N,4-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperazineethanamine, N,N,4-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 13-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27533
1-Piperazineethanamine, N,N,4-trimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- tsca
- TSCA listed
- ridadr
- 2922
- hs_code
- 2933599590
- RTECS-Nr.
- TL6125000
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- hazard_class
- 8
- packing_group
- II
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1-Piperazineethanamine, N,N,4-trimethyl-: ACTIVE
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